3-[(2,4-difluorophenyl)carbamoylamino]thiophene-2-carboxylic acid

C12H8F2N2O3S — CID 43214101

IUPAC3-[(2,4-difluorophenyl)carbamoylamino]thiophene-2-carboxylic acid
SMILESO=C(Nc1ccc(F)cc1F)Nc1ccsc1C(=O)O
InChIInChI=1S/C12H8F2N2O3S/c13-6-1-2-8(7(14)5-6)15-12(19)16-9-3-4-20-10(9)11(17)18/h1-5H,(H,17,18)(H2,15,16,19)
InChIKeyWNHPYNUIAAJJKQ-UHFFFAOYSA-N
MW298.27 g/mol
LogP3.37
Rot. Bonds3

About 3-[(2,4-difluorophenyl)carbamoylamino]thiophene-2-carboxylic acid

3-[(2,4-difluorophenyl)carbamoylamino]thiophene-2-carboxylic acid (PubChem CID 43214101) has the molecular formula C12H8F2N2O3S and a molecular weight of 298.27 g/mol. Its IUPAC name is 3-[(2,4-difluorophenyl)carbamoylamino]thiophene-2-carboxylic acid.

Molecular Properties

Compound Name3-[(2,4-difluorophenyl)carbamoylamino]thiophene-2-carboxylic acid
PubChem CID43214101
Molecular FormulaC12H8F2N2O3S
Molecular Weight298.27 g/mol
Exact Mass298.02
IUPAC Name3-[(2,4-difluorophenyl)carbamoylamino]thiophene-2-carboxylic acid
SMILESO=C(Nc1ccc(F)cc1F)Nc1ccsc1C(=O)O
InChIInChI=1S/C12H8F2N2O3S/c13-6-1-2-8(7(14)5-6)15-12(19)16-9-3-4-20-10(9)11(17)18/h1-5H,(H,17,18)(H2,15,16,19)
InChIKeyWNHPYNUIAAJJKQ-UHFFFAOYSA-N
XLogP3.37
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.27
LogP ≤ 53.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(2,4-difluorobenzoyl)amino]thiophene-2-carboxylic acid
CID 16776930
3-bromo-N-(2,4-difluorophenyl)thiophene-2-carboxamide
CID 47231630
3-[[2-(2,4-difluorophenyl)sulfanylacetyl]amino]thiophene-2-carboxylic acid
CID 43171763
3-[(2-bromo-4-fluorobenzoyl)amino]thiophene-2-carboxylic acid
CID 16771343
1-(2,4-difluorophenyl)-3-(4-fluoro-2-methylphenyl)urea
CID 17263659
1-(2,4-difluorophenyl)-3-(2,3,4-trifluorophenyl)urea
CID 108892630
1-(2,4-difluorophenyl)-3-(3,5-difluorophenyl)urea
CID 46859669
1-(2,4-difluorophenyl)-3-(5-fluoro-2-methylphenyl)urea
CID 46859678
3-(2,4-difluorophenyl)thiophene-2-carboxylic acid
CID 63797013
3-[(2,4-difluorophenyl)carbamoylamino]benzoic acid
CID 6464794
3-[(2,4-difluorophenyl)carbamoylamino]-4-methylbenzoic acid
CID 1297024
1-(2,5-dichlorothiophen-3-yl)-3-(2,4-difluorophenyl)urea
CID 2805628

Frequently Asked Questions

What is the IUPAC name of 3-[(2,4-difluorophenyl)carbamoylamino]thiophene-2-carboxylic acid?
The IUPAC name of 3-[(2,4-difluorophenyl)carbamoylamino]thiophene-2-carboxylic acid (CID 43214101) is 3-[(2,4-difluorophenyl)carbamoylamino]thiophene-2-carboxylic acid.
What is the SMILES notation for 3-[(2,4-difluorophenyl)carbamoylamino]thiophene-2-carboxylic acid?
The canonical SMILES for 3-[(2,4-difluorophenyl)carbamoylamino]thiophene-2-carboxylic acid is O=C(Nc1ccc(F)cc1F)Nc1ccsc1C(=O)O.
What is the InChIKey of 3-[(2,4-difluorophenyl)carbamoylamino]thiophene-2-carboxylic acid?
The InChIKey is WNHPYNUIAAJJKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8F2N2O3S/c13-6-1-2-8(7(14)5-6)15-12(19)16-9-3-4-20-10(9)11(17)18/h1-5H,(H,17,18)(H2,15,16,19).
What are the key properties of 3-[(2,4-difluorophenyl)carbamoylamino]thiophene-2-carboxylic acid?
3-[(2,4-difluorophenyl)carbamoylamino]thiophene-2-carboxylic acid has a molecular weight of 298.27 g/mol, XLogP of 3.37, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,4-difluorophenyl)carbamoylamino]thiophene-2-carboxylic acid is sourced from PubChem (CID 43214101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).